LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
# fcc cobalt in a 3d periodic box

clear
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
units		metal
atom_style 	spin

dimension 	3
boundary 	p p p

# necessary for the serial algorithm (sametag)
atom_modify 	map array

lattice fcc 	3.54
Lattice spacing in x,y,z = 3.54 3.54 3.54
region box 	block 0.0 5.0 0.0 5.0 0.0 5.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (17.7 17.7 17.7)
  1 by 1 by 1 MPI processor grid
create_atoms 	1 box
Created 500 atoms
  create_atoms CPU = 0.00057292 secs

# setting mass, mag. moments, and interactions for fcc cobalt

mass		1 58.93

#set 		group all spin/random 31 1.72
set 		group all spin 1.72 0.0 0.0 1.0
  500 settings made for spin
velocity 	all create 100 4928459 rot yes dist gaussian

pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
fix_modify 	1 energy yes

fix 		2 all langevin/spin 0.0 0.0 21

fix 		3 all nve/spin lattice moving
timestep	0.0001

# compute and output options

compute 	out_mag    all spin
compute 	out_pe     all pe
compute 	out_ke     all ke
compute 	out_temp   all temp

variable 	magx      equal c_out_mag[1]
variable 	magy      equal c_out_mag[2]
variable 	magz      equal c_out_mag[3]
variable 	magnorm   equal c_out_mag[4]
variable 	emag      equal c_out_mag[5]
variable 	tmag      equal c_out_mag[6]

thermo_style    custom step time v_magx v_magy v_magnorm pe v_emag temp etotal
thermo          50

# compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
# dump 		1 all custom 100 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]

run 		1000
Neighbor list info ...
  update every 10 steps, delay 20 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.59954
  ghost atom cutoff = 6.59954
  binsize = 3.29977, bins = 6 6 6
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair eam/alloy, perpetual, half/full from (2)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
  (2) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.718 | 5.718 | 5.718 Mbytes
Step Time v_magx v_magy v_magnorm PotEng v_emag Temp TotEng 
       0            0            0            0            1   -2285.0679   -94.095041    100.00543   -2278.6175 
      50        0.005            0            0            1   -2284.7512   -94.095025    95.095146   -2278.6175 
     100         0.01            0            0            1   -2283.8798   -94.094815    81.584879   -2278.6175 
     150        0.015            0            0            1   -2282.6701    -94.09401    62.831647   -2278.6175 
     200         0.02            0            0            1   -2281.4185   -94.092175    43.426664   -2278.6174 
     250        0.025            0            0            1   -2280.4165   -94.089084    27.892653   -2278.6174 
     300         0.03            0            0            1   -2279.8662   -94.084906     19.36049   -2278.6174 
     350        0.035            0            0            1   -2279.8238   -94.080244    18.702888   -2278.6174 
     400         0.04            0            0            1   -2280.1962   -94.076013     24.47725   -2278.6174 
     450        0.045            0            0            1   -2280.7898   -94.073181    33.678697   -2278.6175 
     500         0.05            0            0            1   -2281.3871   -94.072475    42.940446   -2278.6175 
     550        0.055            0            0            1   -2281.8215   -94.074138    49.675032   -2278.6175 
     600         0.06            0            0            1   -2282.0209   -94.077829    52.765336   -2278.6175 
     650        0.065            0            0            1   -2282.0136   -94.082703    52.652501   -2278.6175 
     700         0.07            0            0            1   -2281.8997   -94.087644     50.88749   -2278.6174 
     750        0.075            0            0            1   -2281.8013   -94.091583    49.361723   -2278.6174 
     800         0.08            0            0            1   -2281.8108   -94.093792    49.508108   -2278.6174 
     850        0.085            0            0            1   -2281.9558   -94.094064    51.756992   -2278.6174 
     900         0.09            0            0            1   -2282.1927   -94.092723    55.428834   -2278.6175 
     950        0.095            0            0            1   -2282.4277   -94.090469    59.072774   -2278.6175 
    1000          0.1            0            0            1   -2282.5578   -94.088121    61.090565   -2278.6175 
Loop time of 4.4001 on 1 procs for 1000 steps with 500 atoms

Performance: 1.964 ns/day, 12.222 hours/ns, 227.268 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.0815     | 2.0815     | 2.0815     |   0.0 | 47.31
Neigh   | 0.011835   | 0.011835   | 0.011835   |   0.0 |  0.27
Comm    | 0.033331   | 0.033331   | 0.033331   |   0.0 |  0.76
Output  | 0.00045395 | 0.00045395 | 0.00045395 |   0.0 |  0.01
Modify  | 2.2677     | 2.2677     | 2.2677     |   0.0 | 51.54
Other   |            | 0.005309   |            |       |  0.12

Nlocal:    500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1956 ave 1956 max 1956 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    24088 ave 24088 max 24088 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  48176 ave 48176 max 48176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 48176
Ave neighs/atom = 96.352
Neighbor list builds = 6
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:04
